3-[3-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]-4-propoxy-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]-4-propoxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-propoxy-phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-[[[(2-chloro-4-propoxyphenyl)-oxomethyl]amino]methyl]-4-propoxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-propoxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-propoxy-phenyl]-2-isopropoxy-propionic acid Formula: C26H34ClNO6 MolecularWeight: 492.00426

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)CC(C(=O)O)OC(C)C)OCCC)Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)CC(C(=O)O)OC(C)C)OCCC)Cl

InChI

InChI=1S/C26H34ClNO6/c1-5-11-32-20-8-9-21(22(27)15-20)25(29)28-16-19-13-18(7-10-23(19)33-12-6-2)14-24(26(30)31)34-17(3)4/h7-10,13,15,17,24H,5-6,11-12,14,16H2,1-4H3,(H,28,29)(H,30,31)